Chemical ID: 4506468

C=CCOc1ccccc1CNc2ccccc2Cl
Chemical ID:
4506468
Name [?]:
N-[(2-allyloxyphenyl)methyl]-2-chloro-aniline
SMILES [?]:
C=CCOc1ccccc1CNc2ccccc2Cl
InChi [?]:
InChI=1/C16H16ClNO/c1-2-11-19-16-10-6-3-7-13(16)12-18-15-9-5-4-8-14(15)17/h2-10,18H,1,11-12H2
InChi Info:
AuxInfo=1/0/N:1,2,8,16,15,7,9,17,14,6,3,11,10,18,13,5,19,12,4/rA:19nCCCOCCCCCCCNCCCCCCCl/rB:d1;s2;s3;s4;s5;d6;s7;d8;d5s9;s10;s11;s12;s13;d14;s15;d16;d13s17;s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H16ClNO
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:9.64078
Area:486.26
Solvation:-2.51571
Coulombic:-23.8563
Bond Count [?]
All:20
Single:13
Double:7
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:273.757
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.53
LogP (Chemaxon):4.4

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